SCHEMBL217113

SCHEMBL217113

O=c1c(O)cccn1C(Br)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
VEGFA P15692 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
IL1RN P18510 2/20 0.37
ERAP2 Q6P179 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
ALPI P09923 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
PTGS2 P35354 1/20 0.35
KEAP1 Q14145 1/20 0.34
MDM2 Q00987 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14488656 0.81 TDP1 (0.47) EGLN1VEGFANPSR1HSD17B10IL1RN
SCHEMBL214474 0.78 OPRK1 (0.41) ALDH1A1GAATDP1MAPT
SCHEMBL272388 0.68 EGLN1 (0.75) EGLN1VEGFAHDAC8HDAC6IL1RN
SCHEMBL660825 0.62 EPHX1 (0.52) CYP1A2ALDH1A1PKMALPIPTGS1
SCHEMBL10514103 0.62 EPHX1 (0.52) CYP1A2ALDH1A1PKMALPIPTGS1
SCHEMBL27756677 0.62 NPSR1 (0.44) NPSR1HSD17B10CYP1A2ALDH1A1PKM
SCHEMBL24120263 0.61 TDP1 (0.50) NPSR1IL1RNERAP2ERAP1ALDH1A1
SCHEMBL30228908 0.61 ATM (0.47) EGLN1VEGFAALDH1A1GAATDP1
SCHEMBL5610157 0.61 CYP1A2 (0.56) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL17763412 0.60 CYP1A2 (0.56) NPSR1HSD17B10CYP1A2PKMALPI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R EGLN1 1640/4885VEGFA 3407/4885NPSR1 86/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 EGLN1 1368/4885VEGFA 4369/4885NPSR1 19/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R EGLN1 1289/4885VEGFA 3800/4885NPSR1 108/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 EGLN1 1365/4885VEGFA 4797/4885NPSR1 13/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R EGLN1 760/4885VEGFA 4003/4885NPSR1 130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.